Fifth International Conference on the Spectroscopy of Biological Molecules PDF
Preview Fifth International Conference on the Spectroscopy of Biological Molecules
FIFTH INTERNATIONAL CONFERENCE ON THE SPECTROSCOPY OF BIOLOGICAL MOLECULES FIFTH INTERNATIONAL CONFERENCE ON THE SPECTROSCOPY OF BIOLOGICAL MOLECULES Edited by THEOPHILE THEOPHANIDES JANE ANASTASSOPOULOU and NIKOLAOSFOTOPOULOS Department of Chemical Engineering, National Technical University, Athens, Greece ..... " SPRINGER-SCIENCE+BUSINESS MEDIA, B.V. A C.I.P. Catalogue record for this book is available from the Library of Congress. ISBN 978-94-010-4855-2 ISBN 978-94-011-1934-4 (eBook) DOI 10.1007/978-94-011-1934-4 Printed on acid-free pap er Ali Rights Reserved © 1993 Springer Science+Business Media Dordrecht Originally published by Kluwer Academic Publishers in 1993 Softcover reprint ofthe hardcover Ist edition 1993 No part of the material protected by this copyright notice may be reproduced or utilized in any form or by any means, electronic or mechanical, including photocopying, recording or by any information storage and retrieval system, without written permission from the' copyright owner. TABLE OF CONTENTS I. Theory. Protein and Nucleic Structure Analysis. Computational Studies. Computer simulation of biomolecular structure and dynamics using a vibrational empirical potential energy function P Derreumaux, G Vergoten 3 New C-Alkylcalix[41resorcinarenes: A computational study M Botta, M C De Rosa, F Corelli, A Santini and A Tafi 7 Molecular modeling of globular protein secondary structure. The missing link closing the gap between prediction methods and optical spectroscopic data A J P Alix 13 Effects of solvation on the ultraviolet RR intensities of PI electrons systems P Lagant, G Vergoten 17 Vibrational spectra and normal coordinate analysis of 1,5- dimethylcytosine J V Garcia-Ramos, A Ben Altabef, L E Camafeita and S Sanchez-Cortes 19 In-plane force fields of nucleic acids purine bases J Ulicny, Z Dhaouadi, M Ghomi, P Mojzes, P Miskovsky, L Chinsky and P Y Turpin 21 Vibrational and semi-empirical studies of the flexibility of flavonoid molecules L Vrielynck, J P Cornard and J C Merlin 23 MEH_FIT: A computer program for the analysis of redox titrations S Grzybek, F Baymann, K-H Muller and W Mantele 25 Semi empirical normal mode analysis of naphthoquinones J-R Burie, M Nonella, E Nabedryk, P Tavan and J Breton 27 Ab initio simulations of coupled peptide vibrational circular dichroism P Bour and T A Keiderling 29 Anharmonic coupling in Nickel (II) octaethylporphyrin investigated by Resonance Raman Spectroscopy R Schweitzer-Stenner, W Jentzen and W Dreybrodt 31 Resonance Raman Spectroscopy probes different conformations of Nickel (II) octaethylporphyrin in solution W Jentzen, R Schweitzer-Stenner and W Dreybrodt 33 Molecular polarizability of a few biomolecules V K Rastogi, V R Murthy, A N Pandey, A Singh and R C Tomar 35 vi II Nucleic Acids Interactions Roles of cations in the structure, stability and condensation of DNA G J Thomas JR, J M Benevides, J Duguid and V A Bloomfield 39 Hydration-driven conformational behaviour of nucleic acids as studied by IR Spectroscopy including factor analysis W Pohle, E B Starikov, W Scheiding and A Rupprecht 47 Vibrational Spectroscopy of nucleic acid triple helices J Liquier, C Dagneaux and E Taiiiandier 51 Raman polarizability theory and vibrational band width measurements of polynucleotides COtto, P A Terpstra and J Greve 55 Intercalating and non-intercalating antitumor drugs: Structure-function correlations as probed by surface-enhanced Raman Spectroscopy M Manfait, I Choupra, K Sokolov, H Morjani, J-F Riou, F Lavelle and I Nabiev 59 Vibrational and electronic spectra of viruses and their components G S Litvinov 65 FTIR studies of Nogalamycin-Oligonucleotide interactions S Missailidis and R E Hester 67 Structure and interactions of parallel-stranded DNA studied by Infrared Spectroscopy and Fluorescence H Fritzsche, A Akhebat, E Taillandier, K Rippe and Th. M Jovin 69 Microwave absorption in plasmidic DNA molecules C Muntean, A loachim and C Cornea 71 Dynamic properties of DNA in a microwave field C Muntean, N Aldea and M Purcaru 73 Molecular interactions between harmane and nucleic acid constituents M A Munoz, J Hidalgo, M C Carmona, P Guardado and M Balon 75 Local Raman tensors of nucleic acids. Shapes and orientations M Tsuboi, K Ushizawa and T Ueda 77 SERS of a series of new substituted ellipticinium derivatives and their complexes to DNA S Bernard, G Levi, M A Schwaller, A Adenier, J P Marsault and J Aubard 79 Detection of triple helical nucleic acids with vibrational circular dichroism L Wang, P Pancoska and T A Keiderling 81 vii Hg (II)-induced conformational transitions of poly[d(A-C)).poly(d(G-T)) investigated by UV and FTIR Spectroscopies P Gariga, D Garcia-Quintana and J Manyosa 83 Raman Spectroscopy and Atomic Force Microscopy of polytene chromosomes J Greve, G J Puppels, C J De Grauw, C A J Putman and B G de Grooth 85 Picosecond dynamics and mechanism of the exciplex formation between electronically excited copper (II)-porphyrin and polynucleotide V S Chirvony, V A Galievsky, S G Kruglik, P-Y Turpin and L Chinsky 87 FT-IR investigation of the helix conformation in complexes of berenil with deoxy and ribopolynucleotides H-U Schmitz and W Hubner 89 Resonance Raman enhancement for guanine residue M Majoube, Ph. Millie, P Lagant and G Vergoten 91 Transform analysis of the Resonance Raman spectra of some anthracyclines and their complexes with DNA. Evidence for excited state charge transfer M P Marzocchi, G Smulevich, A R Mantini, F Bosi, A Feis and A C Albrecht 93 Vibrational spectroscopic study of the hydrogen bonding of cytidine with guanosine P Carmona, M Molina, R Escobar, A Ben Altabef and A Lasagabaster 95 Study of the self-association process of 5'-CMP in 2H20 solution A Hernanz, R Navarro, J M Gavira and I Bratu 97 III Protein Interactions Interactions in photoexcited porphyrin-protein complexes C R Lefley, J N Moore and R E Hester 101 Electronic and vibrational relaxation dynamics of heme proteins P M Champion 105 Conformational changes of bovine serum albumin on adsorption on montmorillonite: A FTIR study M H Baron and H Quiquampoix 109 Titration of protonable residues in proteins by flash induced H+ release from "caged proton"-UVNlS and IR studies C Fogel, F Petry, A Barth and W Mantele 113 Evidence of different types of binding for high- and low-spin heme proteins A Feis, M Paoli, M P Marzocchi and G Smulevich 115 viii Vibrational circular dichroism of proteins in H20 solution V Baumruk and T A Keiderling 117 Conformational analysis of a cyclic peptide by means of a combined approach of NMR, CD and UV absorption Spectroscopy E John, K Boerlin and M J J Blommers 119 Spectroscopic studies of interactions between porCine pancreatic elastase and oleic acid K Marx, M Berjot, F Charton, J Marx, C Thirion and A J P Alix 123 Spectroscopic analysis of the conformation of bovine tropoelastin. Comparison with predictive results L Debelle, C Thirion and A P J Alix 125 Vibrational spectroscopic studies of the growth modulating tripeptide glycyl-L- histidyl-L-Iysine free and bound to copper (II)-ion C Pujol, M Berjot, F Charton, C Thirion and A J P Alix 127 Does hydration contribute to the minor occurence of cis-peptide units in amides and peptides? Evidence from 170 NMR Spectroscopy and theoretical calculations C Vakka, I P Gerothanassis and I Demetropoulos 129 Environmental characteristics of residues in proteins UV Resonance Raman Spectroscopy and 3D molecular hydrophobicity potential approach R G Efremov, D I Gulyaev, A V Feofanov, G Vergoten and A P J Alix 131 NIR-FT-Raman spectra of some proteins D H Christiansen, S E Coalaianni and 0 F Nielsen 133 Fluorescent studies of the 2-oxoglutarate dehydrogenase complex from bovine heart A A Maskevich, S A Ostrovtsova, I P Chernichevich, S A Maskevich, N D Strecal and L N Kivach 135 Differences of Tamm-Horsfall-Glycoproteins from healthy pro bands and recurrent renal, stone formers as revealed by FTIR-Sprectroscopy R Knorle, P Schnierle, W Hubner, F Hering, N Buchholz, H Seiler and Th. Ackermann 137 Protein secondary structure prediction from FTIR-A comparison between different methods of multivariate data analysis K Rahmelow, W Hubner and Th. Ackermann 139 Protein secondary structure prediction from FTIR-Proteins in solution versus dry films K Rahmelow, W Hubner and Th. Ackermann 141 FTIR spectroscopic investigations of polymerizing proteins R Knorle and W Hubner 143 ix Interactions of Bis-ANS with a-Lactalbumin G Vanderheeren, I Hanssens and H Van Dael 145 SERS of Glutamic acid and glutamine on silver hydrosols J F Arenas, M A Montanez, J C Otero and J I Marcos 147 Secondary structure changes of tubulin induced by navelbine by FT-IR N Allam, J M Millot, D Leynadier, V Peyrot, C Briand, F Breillout and M Manfait 149 Interaction of cm-FGF with suramin: A Fluorescence study of binding and aggregation M Gigli, V. Rizzo and P Caccia 151 Mechanism of congo red binding to amyloid proteins with a beta related sheet structure A Elhaddaoui, A Delacourta, E Pigorsch, J Sajid and S Turrell 153 Spectroscopic study of Ph and solvent effects on the structure of congo red and its binding to amyloid-like proteins E Pigorsch, A Elhaddaoui, A Delacourta and S Turrell 155 A Resonance Raman Spectroscopy study of bilirubin-serum albumin complexes S J Coulthurst, J N Moore and R E Hester 157 Vibrational circular dichroism of proteins in H20 solution V Baumruck and T A Keiderling 159 The heterogenity of the proximal heme-protein linkage in deoxyoglobin probed by the Raman band of the Fe2+Ne (HIS F8) stretching mode H Gilch, R Schweiter-Stenner and W Dreybrodt 161 Electrochemically-triggered Infrared difference spectra of the primary donor P700/P700+ of photosystem I from synechocystis PCC 6803 E Hamacher, J Kruip, M Ranger and W Mantele 163 IV Metal-biomolecule interactions Spectroscopic studies on the metal-nucleotide interactions. A review R Navarro and A Hernanz 167 FT-IR studies on protein structural changes accompanying thermal denaturation, metal-ion binding, and light absorption M Tasumi 173 x IR-Raman and multinuclear liquid and solid phase 13C NMR spectra of "B group metal complexes with active aldehyde derivatives of thiamine M Louloudi and N Hadjiliadis 177 IR-Raman and 1 H NMR spectra of some amino acid chelates of the type cis- [(NH3)2Pt(amac)](N03), where amac is the anions of glycine, L-alanine, L- aminobutyric acid, L-valine and L-norvaline and of ternary complexes of the type cis- [(NH3)2Pt(nucl)(amac)](N03), where nucl=9-methylguanine (9-MeG), 1- methylcytosine (1-MeC) A lakovidis and N Hadjiliadis 181 A simple SERS technique for the detection of trace amounts of the drug detomidine and its metabolite P M Fredericks and E Wentrup-Byme 183 2,3 and 3,4-dihydroxy-benzoic acid complexes of transition metals V Aletras, A Lymberopoulou, M Paparrigopoulou, D Stambaki, S Perlepes, T Bakas, V Papaefthymiou and N Hadjiliadis 185 Thermochromic behaviour of platinum uridine complexes T Laitalainen, A Oksanen, H Tylli and R Serimaa 187 UV-visible spectroscopic description of the intramolecular interactions at the origin of the e°xt raordinary pigmentation properties of some acylated anthocyanins Dangles, N Saito and R Brouillard 189 FT-IR Spectroscopy investigation of bacteria-antibiotic interactions W Zeroual, C Choisy, J M Millot and M Manfait 191 HR NMR and semiempirical calculations on penicilin and penicilin-metal ion interaction in solution ° T Kupka, E Baitz-Cacs, J Dziegielewski, P Lodowski and G Pasterna 193 Spectroscopic studies of complexes of Pd (II) with 2-acetylpyridine thiosemicarbazone A E Domopoulou, M A Demertzis and D Kovala-Demertzi 195 Molecular dynamics of S'-CMP in 2H20 from FT-IR vs (P0:3 -2) bandshape analysis R Navarro, I Bratu and A Hernanz 197 r Multiplicity of the molybdenum-molybdenum bond in the cluster ion [M02C18 4 as intermedi°ate product in catalytic process J Dziegielewski 199 xi Molybdenum and tungsten complexes in processes of N2 reduction in v-radiation field as model of nitrogenasis J 0 Dziegielewski 201 Biologically active complex of Co (II) with 5-bromouracil V K Rastogi, A Singh, S C Chawla and S L Gupta 203 New copper complexes with chiral ligands N Fotopoulos, J Anastassopoulou, NTh. Pakintzis and T Theophanides 205 V NMR, Phospholipids, Membranes and Polysaccharides Fourier transform IR and multinuclear and multidimensional NMR Spectroscopic studies of specific peptide and protein- bound water molecules I P Gerothanassis 209 170 NMR and FTIR studies of haemoproteins and synthetic model compounds in solution and in the solid state I P Gerothanassis and M Momenteau 213 13C nuclear magnetic relaxation and motional behaviour of polysaccharides in solution P Dais 217 Molecular changes of the membrane embedded carboxyl group GLU 122 of bovine rhodopsin during the transition to the active state metarhodopsin-II: An investigation on the Glu 122--- ASP mutant using FT-IR Difference Spectroscopy F Jager, T Sakmar and F Siebert 223 Resonance and surface enhanced Raman scattering and 1 H spin echo NMR as probes of the chemistry of living cells W E Smith and J Reglinski 227 Surface enhanced Resonance Raman spectra of erythrocytes adsorbed on silver island films S Podtynchencko, I B Zavodnik and S A Maskevich 235 Conformational order in biomembranes:Quantitative determination by infrared spectroscopy R Mendelsohn 237 NMR and IR studies of the effect of calcium on the binding of inhibitors to phospholipase A2 P K Siaich, W U Primrose, D H Robinson, C W Wharton, A J White, K Drabble and G C K Roberts 241
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